SCHEMBL13634616

SCHEMBL13634616

C[C@H]1CCN(Cc2ccc(NC(=O)c3coc(N4CCC(Oc5ncccn5)CC4)n3)c(C(=O)NCCF)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.38
UTS2R Q9UKP6 1/20 0.34
GPR6 P46095 3/20 0.33
SLC2A1 P11166 1/20 0.33
F10 P00742 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ACKR3 P25106 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13638813 0.93 PDCD1 (0.39) MCHR1UTS2RGPR6KDM4EACKR3
SCHEMBL13634814 0.90 MCHR1 (0.39) MCHR1UTS2RF10LMNASMN1; SMN2
SCHEMBL13634779 0.89 MCHR1 (0.43) MCHR1UTS2RGPR6ACKR3MAPK1
SCHEMBL13634816 0.86 MCHR1 (0.38) MCHR1F10LMNASMN1; SMN2MEN1
SCHEMBL13270762 0.83 S1PR1 (0.40) MCHR1GPR6F10LMNASMN1; SMN2
SCHEMBL13638815 0.82 MCHR1 (0.43) MCHR1UTS2RGPR6
SCHEMBL13270419 0.81 F10 (0.40) MCHR1F10LMNASMN1; SMN2MAPK1
SCHEMBL13634704 0.81 MCHR1 (0.38) MCHR1UTS2RGPR6SLC2A1F10
SCHEMBL13634861 0.81 MCHR1 (0.38) MCHR1UTS2RGPR6SLC2A1F10
SCHEMBL13638822 0.80 MCHR1 (0.38) MCHR1UTS2RSLC2A1ACKR3KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed